tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate

C15H31N3O2 — CID 96553576

IUPACtert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(C[C@@H]1CCCCN1CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-5-17(14(19)20-15(2,3)4)12-13-8-6-7-10-18(13)11-9-16/h13H,5-12,16H2,1-4H3/t13-/m0/s1
InChIKeyVIFANLNRKDNXMO-ZDUSSCGKSA-N
MW285.43 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate

tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate (PubChem CID 96553576) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
PubChem CID96553576
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(C[C@@H]1CCCCN1CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-5-17(14(19)20-15(2,3)4)12-13-8-6-7-10-18(13)11-9-16/h13H,5-12,16H2,1-4H3/t13-/m0/s1
InChIKeyVIFANLNRKDNXMO-ZDUSSCGKSA-N
XLogP2.06
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566278
tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566035
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate
CID 165468490
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
CID 92982304
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 66567395
4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
CID 19845936
N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 66567339
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 131108775
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate
CID 66566359
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate (CID 96553576) is tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate is CCN(C[C@@H]1CCCCN1CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate?
The InChIKey is VIFANLNRKDNXMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-17(14(19)20-15(2,3)4)12-13-8-6-7-10-18(13)11-9-16/h13H,5-12,16H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate?
tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate has a molecular weight of 285.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 96553576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).